Natural Product: NPC206507

Natural Product ID:  NPC206507
Common Name:   Inflatin F
IUPAC Name:   (5S,7S,8S)-4-methoxy-5-[[(5S,7S,8S)-4-methoxy-7,8-dimethyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyran-5-yl]oxy]-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
Synonyms:   Inflatin F
Molecular Formula:   C22H26O9
Standard InCHIKey:  CGCDOVOCJQXOOK-NVXFIYROSA-N
Standard InCHI:  InChI=1S/C22H26O9/c1-9-11(3)27-21(17-13(25-5)7-15(23)29-19(9)17)31-22-18-14(26-6)8-16(24)30-20(18)10(2)12(4)28-22/h7-12,21-22H,1-6H3/t9-,10-,11-,12-,21-,22-/m0/s1
Canonical SMILES:  COc1cc(=O)oc2c1[C@@H](O[C@H]([C@@H]2C)C)O[C@@H]1O[C@@H](C)[C@@H](c2c1c(OC)cc(=O)o2)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO23794 Tolypocladium inflatum Species Ophiocordycipitaceae Eukaryota PMID[21812410]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 57500 nM 21812410
NPT81 Cell Line A549 Homo sapiens IC50 > 100000 nM 21812410
NPT2 Others Unspecified IC50 > 100000 nM 21812410
NPT1083 Cell Line A-375 Homo sapiens IC50 > 100000 nM 21812410
NPT83 Cell Line MCF7 Homo sapiens IC50 > 100000 nM 21812410
NPT461 Cell Line PANC-1 Homo sapiens IC50 > 100000 nM 21812410
NPT941 Cell Line HaCaT Homo sapiens IC50 > 100000 nM 21812410

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC206507 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC147621
1.0 High Similarity NPC210258
0.8243 Intermediate Similarity NPC178575
0.8056 Intermediate Similarity NPC470033
0.7838 Intermediate Similarity NPC280374
0.7746 Intermediate Similarity NPC15193
0.7368 Intermediate Similarity NPC470032
0.6974 Remote Similarity NPC476589
0.6962 Remote Similarity NPC59558
0.6923 Remote Similarity NPC238223
0.6923 Remote Similarity NPC477117
0.6892 Remote Similarity NPC476585
0.6882 Remote Similarity NPC170204
0.6875 Remote Similarity NPC133098
0.6813 Remote Similarity NPC327253
0.6795 Remote Similarity NPC132286
0.679 Remote Similarity NPC316851
0.6753 Remote Similarity NPC476586
0.6667 Remote Similarity NPC10080
0.6667 Remote Similarity NPC123908
0.6667 Remote Similarity NPC320552
0.6667 Remote Similarity NPC25038
0.6627 Remote Similarity NPC315552
0.6623 Remote Similarity NPC471611
0.6575 Remote Similarity NPC221763
0.6566 Remote Similarity NPC197736
0.6562 Remote Similarity NPC153559
0.6538 Remote Similarity NPC471566
0.6538 Remote Similarity NPC7940
0.6512 Remote Similarity NPC271632
0.6495 Remote Similarity NPC473307
0.6495 Remote Similarity NPC124181
0.6494 Remote Similarity NPC2328
0.6494 Remote Similarity NPC476584
0.6477 Remote Similarity NPC474028
0.6477 Remote Similarity NPC474439
0.6463 Remote Similarity NPC316185
0.6456 Remote Similarity NPC469446
0.6452 Remote Similarity NPC303451
0.6452 Remote Similarity NPC6414
0.6447 Remote Similarity NPC309408
0.6444 Remote Similarity NPC470124
0.6444 Remote Similarity NPC163606
0.6438 Remote Similarity NPC173157
0.642 Remote Similarity NPC151481
0.641 Remote Similarity NPC25747
0.641 Remote Similarity NPC148233
0.6404 Remote Similarity NPC475714
0.6383 Remote Similarity NPC114172
0.6383 Remote Similarity NPC206679
0.6383 Remote Similarity NPC471324
0.6374 Remote Similarity NPC186332
0.6374 Remote Similarity NPC47220
0.6364 Remote Similarity NPC219038
0.6354 Remote Similarity NPC291709
0.6354 Remote Similarity NPC469543
0.6354 Remote Similarity NPC241407
0.6351 Remote Similarity NPC150717
0.6344 Remote Similarity NPC242877
0.6344 Remote Similarity NPC64913
0.6333 Remote Similarity NPC126518
0.6329 Remote Similarity NPC471556
0.6329 Remote Similarity NPC471565
0.6329 Remote Similarity NPC220766
0.6316 Remote Similarity NPC61201
0.6316 Remote Similarity NPC109406
0.6316 Remote Similarity NPC159092
0.631 Remote Similarity NPC107654
0.631 Remote Similarity NPC470686
0.631 Remote Similarity NPC315843
0.63 Remote Similarity NPC471599
0.6292 Remote Similarity NPC251026
0.6289 Remote Similarity NPC112654
0.6286 Remote Similarity NPC234084
0.6279 Remote Similarity NPC10572
0.6279 Remote Similarity NPC471225
0.6279 Remote Similarity NPC473825
0.6279 Remote Similarity NPC315394
0.6265 Remote Similarity NPC181587
0.625 Remote Similarity NPC191643
0.625 Remote Similarity NPC294293
0.625 Remote Similarity NPC315115
0.625 Remote Similarity NPC124586
0.625 Remote Similarity NPC191233
0.6237 Remote Similarity NPC473151
0.6237 Remote Similarity NPC233997
0.6237 Remote Similarity NPC471057
0.6237 Remote Similarity NPC471058
0.6234 Remote Similarity NPC26223
0.6222 Remote Similarity NPC473315
0.6222 Remote Similarity NPC142111
0.622 Remote Similarity NPC476591
0.622 Remote Similarity NPC470693
0.622 Remote Similarity NPC88877
0.6211 Remote Similarity NPC476084
0.6211 Remote Similarity NPC110072
0.6211 Remote Similarity NPC476075
0.6203 Remote Similarity NPC308457
0.62 Remote Similarity NPC57586
0.62 Remote Similarity NPC475655
0.62 Remote Similarity NPC154132
0.62 Remote Similarity NPC475157
0.62 Remote Similarity NPC471637
0.62 Remote Similarity NPC2313
0.6196 Remote Similarity NPC471480
0.617 Remote Similarity NPC285588
0.6163 Remote Similarity NPC470705
0.6162 Remote Similarity NPC90819
0.6162 Remote Similarity NPC151093
0.6154 Remote Similarity NPC473308
0.6154 Remote Similarity NPC266718
0.6154 Remote Similarity NPC475706
0.6145 Remote Similarity NPC315285
0.6139 Remote Similarity NPC222062
0.6129 Remote Similarity NPC316138
0.6129 Remote Similarity NPC74139
0.6129 Remote Similarity NPC475186
0.6129 Remote Similarity NPC118077
0.6129 Remote Similarity NPC313658
0.6125 Remote Similarity NPC182794
0.6125 Remote Similarity NPC282760
0.6111 Remote Similarity NPC323251
0.6105 Remote Similarity NPC474098
0.6105 Remote Similarity NPC475995
0.6104 Remote Similarity NPC133600
0.61 Remote Similarity NPC22149
0.61 Remote Similarity NPC255677
0.61 Remote Similarity NPC244878
0.61 Remote Similarity NPC306344
0.6098 Remote Similarity NPC475760
0.6098 Remote Similarity NPC79220
0.6098 Remote Similarity NPC313444
0.6092 Remote Similarity NPC68156
0.6087 Remote Similarity NPC242233
0.6087 Remote Similarity NPC474424
0.6087 Remote Similarity NPC471060
0.6087 Remote Similarity NPC130030
0.6082 Remote Similarity NPC256368
0.6082 Remote Similarity NPC104925
0.6082 Remote Similarity NPC469697
0.6082 Remote Similarity NPC298973
0.6082 Remote Similarity NPC477722
0.6081 Remote Similarity NPC218486
0.6081 Remote Similarity NPC159535
0.6081 Remote Similarity NPC151761
0.6078 Remote Similarity NPC267869
0.6078 Remote Similarity NPC118761
0.6078 Remote Similarity NPC197541
0.6078 Remote Similarity NPC284929
0.6078 Remote Similarity NPC234304
0.6076 Remote Similarity NPC475073
0.6076 Remote Similarity NPC210303
0.6076 Remote Similarity NPC179087
0.6076 Remote Similarity NPC44343
0.6076 Remote Similarity NPC474723
0.6076 Remote Similarity NPC474729
0.6067 Remote Similarity NPC127295
0.6067 Remote Similarity NPC163362
0.6064 Remote Similarity NPC474629
0.6064 Remote Similarity NPC196407
0.6061 Remote Similarity NPC475332
0.6049 Remote Similarity NPC146811
0.6042 Remote Similarity NPC470520
0.6042 Remote Similarity NPC472126
0.6042 Remote Similarity NPC472125
0.6042 Remote Similarity NPC472124
0.6042 Remote Similarity NPC175842
0.6042 Remote Similarity NPC32494
0.604 Remote Similarity NPC20673
0.604 Remote Similarity NPC298255
0.604 Remote Similarity NPC4637
0.604 Remote Similarity NPC98859
0.604 Remote Similarity NPC28304
0.6026 Remote Similarity NPC429928
0.6026 Remote Similarity NPC79756
0.6024 Remote Similarity NPC232812
0.6022 Remote Similarity NPC208473
0.6022 Remote Similarity NPC291712
0.6 Remote Similarity NPC474913
0.6 Remote Similarity NPC477748
0.6 Remote Similarity NPC222244
0.6 Remote Similarity NPC476490
0.6 Remote Similarity NPC477457
0.6 Remote Similarity NPC16349
0.6 Remote Similarity NPC474440
0.6 Remote Similarity NPC477456
0.6 Remote Similarity NPC293044
0.6 Remote Similarity NPC476489
0.598 Remote Similarity NPC261117
0.598 Remote Similarity NPC201191
0.598 Remote Similarity NPC195510
0.598 Remote Similarity NPC13171
0.598 Remote Similarity NPC310804
0.5979 Remote Similarity NPC472195
0.5979 Remote Similarity NPC189651
0.5979 Remote Similarity NPC475098
0.5979 Remote Similarity NPC472196
0.5979 Remote Similarity NPC238090
0.5978 Remote Similarity NPC475035
0.5976 Remote Similarity NPC194871

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC206507 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.6333 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5732 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5686 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5676 Remote Similarity NPD6927 Phase 3
0.5652 Remote Similarity NPD7503 Approved
0.5625 Remote Similarity NPD1282 Approved

Structure

External Identifiers

PubChem CID   53494114
ChEMBL   CHEMBL1824865
ZINC  

Physicochemical Properties

Molecular Weight:  434.16
ALogP:  -0.7357
MLogP:  2.89
XLogP:  1.94
# Rotatable Bonds:  10
Polar Surface Area:  98.75
# H-Bond Aceptor:  9
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  31

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs